CID 57929194

1161783-84-1

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(17)13-6-4-8(5-7-13)9(14)10(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKey
ARQJBRHHZFTDLY-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.1263 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.133576 156.8
[M+Na]+ 280.115518 160.9
[M-H]- 256.119024 156.9
[M+NH4]+ 275.160123 171.4
[M+K]+ 296.089458 160.9
[M+H-H2O]+ 240.123560 151.0
[M+HCOO]- 302.124501 170.5
[M+CH3COO]- 316.140151 191.5
[M+Na-2H]- 278.100966 157.2
[M]+ 257.12575142 155.3
[M]- 257.12684858 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe